SCHEMBL31743751

SCHEMBL31743751

CC(C)(C)OC(=O)N1CCN(c2ccc(-n3c(=O)[nH]c4ccc(Cl)cc43)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ GPR119 Q8TDV5 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31743826 0.86 MAPT (0.47) SMN1; SMN2NPSR1MAPTLMNAALDH1A1
SCHEMBL21069488 0.80 MAPT (0.50) SMN1; SMN2NPSR1HTTMAPTLMNA
SCHEMBL1458941 0.80 SMN1; SMN2 (0.70) SMN1; SMN2NPSR1HTTMAPTLMNA
SCHEMBL4636659 0.77 OPRM1 (0.53) MAPT
SCHEMBL13503139 0.77 DDB1 (0.44) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL31743832 0.77 TSHR (0.60) SMN1; SMN2NPSR1HTTMAPTLMNA
SCHEMBL5573222 0.76 MAPT (0.76) SMN1; SMN2NPSR1HTTMAPTLMNA
SCHEMBL1257264 0.75 MEN1 (0.70) SMN1; SMN2NPSR1HTTMAPTLMNA
SCHEMBL319785 0.75 DAO (0.52) DAO
SCHEMBL31743785 0.75 GFER (0.42) SMN1; SMN2NPSR1HTTMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 — — EP disclosed
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